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1exj

CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPP

Method: X-RAY DIFFRACTION D_max: 105.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1exj
deposition_date	2000-05-02
title	CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPP
keywords	Protein-DNA Complex, MerR-family transcription activator, multidrug-binding protein, Transcription-DNA COMPLEX; Transcription/DNA
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	31.97 Å
rg_electron	32.06 Å
i0	26434300.00
molecular_weight	36512.0 kDa
excluded_volume	43973 Å³
envelope_volume	67710 Å³
shell_volume	19253 Å³
envelope_diameter	109.1 Å
shell_rg	35.96 Å
envelope_rg	30.55 Å
shape_rg	32.08 Å
total_rg	32.37 Å
total_atoms	2552
n_residues	296
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	105.6 Å
rg_real	32.19 Å
rg_real_error	1.05 Å
i0_real	2.6430e+07
i0_real_error	4.2940e+05
rg_reciprocal	32.10 Å
i0_reciprocal	26430000.0000
total_estimate	0.8697
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	25.4 Å
skewness	0.302
kurtosis	-0.731
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	1624000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.762; Smooth: 0.889

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	;DNA (5'-D(APCPCPCPTPCPCPCPCPTPTPAPGPGPGPGPAPGPGPGP*T)-3') ;
formula_weight	6440.1 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	M
atom_count	2557

ACCCTCCCCTTAGGGGAGGGT

Entity 2 polymer

description	MULTIDRUG-EFFLUX TRANSPORTER REGULATOR
formula_weight	32621.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

MKESYYSIGEVSKLANVSIKALRYYDKIDLFKPAYVDPDTSYRYYTDSQLIHLDLIKSLKYIGTPLEEMKKAQDLEMEELFAFYTEQERQIREKLDFLSALEQTISLVKKRMKRQMEYPALGEVFVLDEEEIRIIQTEAEGIGPENVLNASYSKLKKFIESADGFTNNSYGATFSFQPYTSIDEMTYRHIFTPVLTNKQISSITPDMEITTIPKGRYACIAYNFSPEHYFLNLQKLIKYIADRQLTVVSDVYELIIPIHYSPKKQEEYRVEMKIRIAE

Source

organism	Bacillus subtilis
ncbi_taxonomy_id	1423
host_organism	Escherichia coli

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	TETRAPHENYLPHOSPHONIUM
formula_weight	339.4 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	5

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6. Citations (1)

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length_a	109.490 Å
length_b	109.490 Å
length_c	144.320 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 2 2
int_tables_number	95
crystal_system	—

resolution	3.000 Å
resolution_low	16.000 Å
r_factor	—
r_work	0.2400
r_free	0.3150

fit	/app/data/saxs_computation/ex/1exj/1exj.fit
pddf	/app/data/pr_computation/ex/1exj/1exj.pr.out
profile	/app/data/saxs_computation/ex/1exj/1exj.dat

CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPP

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)